MAXIMUM OVERLAP APPROXIMATION CALCULATIONS ON POLYATOMIC-MOLECULES .1. EMOA METHOD

被引：26

作者：

BOCA, R

PELIKAN, P

VALKO, L

MIERTUS, S

机构：

[1] SLOVAKIA TECH UNIV, DEPT PHYS CHEM, 88037 BRATISLAVA, CZECHOSLOVAKIA

[2] SLOVAKIA ACAD SCI, INST POLYMERS, 80934 BRATISLAVA, CZECHOSLOVAKIA

[3] SLOVAKIA TECH UNIV, DEPT INORG CHEM, 88037 BRATISLAVA, CZECHOSLOVAKIA

来源：

CHEMICAL PHYSICS | 1975年 / 11卷 / 02期

关键词：

D O I：

10.1016/0301-0104(75)80002-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：229 / 236

页数：8

共 26 条

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OHRN, Y .

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[2]

Benson S.W., 1976, THERMOCHEMICAL KINET

[3]

BOCA R, UNPUBLISHED RESULTS

[4]

Coulson C. A., 1961, VALENCE

[5]

DELRE G, 1966, THEOR CHIM ACTA, V6, P36

[6]

DELRE G, 1963, THEOR CHIM ACTA, V1, P188

[7] MAXIMUM-OVERLAP DIRECTED-HYBRID ORBITALS [J].

GILBERT, TL ;

LYKOS, PG .

JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (06) :2199-&

[8] CONSTRUCTION OF APPROXIMATE BEST-HYBRID ORBITALS [J].

GOLEBIEWSKI, A .

TRANSACTIONS OF THE FARADAY SOCIETY, 1961, 57 (11) :1849-&

[9]

GOLEBIEWSKI A, 1963, ACTA PHYS POL, V23, P243

[10] GENERALIZED METHOD FOR CONSTRUCTION OF HYBRID ORBITALS BY MAXIMUM OVERLAP METHOD [J].

HUBAC, I ;

KVASNICKA, V ;

LAURINC, V .

CHEMICAL PHYSICS LETTERS, 1972, 13 (04) :357-+

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